Compound Identification
SMILES
COCCOC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC(O)=O
InChIKey
InChIKey=XIYWOGSZKZKDFZ-UHFFFAOYSA-N
Formula
C18H20N2O7S
Mass
408.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Dialkyl ethers Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available